N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide

C19H14F4N2O2S — CID 154073579

IUPACN-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(F)cn2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F4N2O2S/c1-12-2-3-13(17-9-6-15(20)11-24-17)10-18(12)25-28(26,27)16-7-4-14(5-8-16)19(21,22)23/h2-11,25H,1H3
InChIKeyQRRCGLRPRXLQLX-UHFFFAOYSA-N
MW410.39 g/mol
LogP5.02
Rot. Bonds4

About N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 154073579) has the molecular formula C19H14F4N2O2S and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID154073579
Molecular FormulaC19H14F4N2O2S
Molecular Weight410.39 g/mol
Exact Mass410.07
IUPAC NameN-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(F)cn2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F4N2O2S/c1-12-2-3-13(17-9-6-15(20)11-24-17)10-18(12)25-28(26,27)16-7-4-14(5-8-16)19(21,22)23/h2-11,25H,1H3
InChIKeyQRRCGLRPRXLQLX-UHFFFAOYSA-N
XLogP5.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 154073579) is N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide is Cc1ccc(-c2ccc(F)cn2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QRRCGLRPRXLQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2S/c1-12-2-3-13(17-9-6-15(20)11-24-17)10-18(12)25-28(26,27)16-7-4-14(5-8-16)19(21,22)23/h2-11,25H,1H3.
What are the key properties of N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 410.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-2-pyridinyl)-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 154073579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).